Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.92700
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00006
0.00006
2
0.00000
0.00006
0.00006
3
0.00000
-0.00026
0.00016
4
0.00000
0.00002
0.00001
5
0.00000
-0.00002
0.00001
6
0.00000
0.00026
0.00016
7
0.00000
-0.00073
-0.00040
8
0.00000
0.00005
0.00000
9
0.00000
-0.00005
0.00000
10
0.00000
0.00073
-0.00040
11
0.00000
0.00034
0.00106
12
0.00000
-0.00013
0.00018
13
0.00000
0.00013
0.00018
14
0.00000
-0.00034
0.00106
15
0.00000
-0.00022
0.00054
16
0.00000
0.00022
0.00054
17
0.00000
0.00830
0.00136
18
0.00000
-0.00064
-0.00004
19
0.00000
0.00064
-0.00004
20
0.00000
-0.00830
0.00136
21
0.00000
0.02001
-0.03337
22
0.00000
-0.00009
0.00020
23
0.00000
0.00010
0.00020
24
0.00000
-0.02001
-0.03337
25
0.00000
0.04033
-0.00009
26
0.00000
-0.04033
-0.00009
27
0.00000
0.00700
-0.01303
28
0.00000
-0.00700
-0.01303
29
0.00000
-0.08384
-0.00161
30
0.00000
0.00691
-0.00025
31
0.00000
-0.00691
-0.00025
32
0.00000
0.08384
-0.00161
33
0.00000
-0.23322
0.38935
34
0.00000
0.00136
-0.00267
35
0.00000
-0.00137
-0.00268
36
0.00000
0.23323
0.38936
37
0.00000
-0.07638
0.13150
38
0.00000
0.00127
-0.00216
39
0.00000
-0.00127
-0.00216
40
0.00000
0.07638
0.13150
41
0.00000
-0.46800
0.00214
42
0.00000
0.46800
0.00214